Workshop on

Bioinformatics Approach in Enzymology: Molecular Structure and Data Analysis

Dokuz Eylül Universitesi, 2 to 6 June 2014

Your instructor: Angel Herráez, PhD - University of Alcalá (Spain)

short URL:

  Mon. 2 Jun Tue. 3 Jun Wed. 4 Jun Thu. 5 Jun Fri. 6 Jun
morning   independent
9:30-12:15 work on
your project
work on your
project & presentation
    Section 3
afternoon 13:30-16:15 13:30-16:15 independent
& work on
your project
13:30-16:15 13:30-16:15
  Section 1 Section 1
Section 2
Section 4 Section 4
Section 5

The icon points to handouts that either will be covered during the workshop or you can use as support reading during your study.

Brief outline of the workshop schedule (pdf).

Student assignment:
  Instructions for your personal work and your mini-project. (pdf)
  Listing of proteins.

Section 1

Molecular and structural approach of enzymes and their interaction with substrates, effectors and inhibitors. Application of molecular visualisation for investigation of the active site, the structural bases for substrate recognition, and catalytic mechanisms. Analysis of enzyme-ligand contacts.

By the end of this first session, each student should choose a protein of interest to start practicing up to next session. Think of a mini-project around that protein, that will consist on investigation and presentation of structural/biologically relevant features.

Section 2

Fundamentals leading to further understanding of pharmacological issues and drug design strategies.

Make a decision on your mini-project.

Section 3

Technical tutorial on how to implement molecular displays within a presentation in order to illustrate and discuss the above issues.

Section 4

Simulations in the computer as a tool for teaching enzyme kinetics and for students independent work: understanding the meaning of Km and Vmax, effect of inhibitors, graphical plots …
Advanced data analysis in enzyme kinetics. Enzymatic kinetics, inhibition and types. The use of the linear transforms vs. nonlinear regression for data analysis.

Section 5

Student presentations on their practice work on display and discussion of enzyme-ligand interaction.